HRID1131444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID61668

Boronic acid

H3BO2

HCID12536277

1-Methoxy-2-(methoxymethoxy)benzene

C9H12O3

结构：Cc1cc(C)c(S(=O)(=O)n2ncc3ccc(I)cc32)c(C)c1

HCID21877396

未命名化合物

PRODUCTS

生成物

结构：COCOc1ccc(-c2ccc3cnn(S(=O)(=O)c4c(C)cc(C)cc4C)c3c2)cc1OC

HCID21877354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a89ed462c134bc1a0e26410bc7d1cfc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BH:23]([OH:24])[OH:25].[C:45](=[O:46])([O-:47])[O-:48].[CH3:26][O:27][c:28]1[cH:29][cH:30][cH:31][cH:32][c:33]1[O:34][CH2:35][O:36][CH3:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[I:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[c:15]([CH3:22])[cH:16][c:17]([CH3:21])[cH:18][c:19]3[CH3:20])[c:9]2[cH:10]1.[K+:49].[K+:50].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH2:57]>>[c:2]1(-[c:30]2[cH:29][c:28]([O:27][CH3:26])[c:33]([O:34][CH2:35][O:36][CH3:37])[cH:32][cH:31]2)[cH:3][cH:4][c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[c:15]([CH3:22])[cH:16][c:17]([CH3:21])[cH:18][c:19]3[CH3:20])[c:9]2[cH:10]1